[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane

C20H24Si — CID 87603334

IUPAC[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane
SMILESCC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=C(C)C=CC1
InChIInChI=1S/C20H24Si/c1-13-8-6-10-17(13)19-14(2)12-16-9-7-11-18(21(4)5)15(3)20(16)19/h6-9,11-12,15H,10H2,1-5H3
InChIKeySGEHJKQKBUNZGE-UHFFFAOYSA-N
MW292.50 g/mol
LogP5.16
Rot. Bonds1

About [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane

[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane (PubChem CID 87603334) has the molecular formula C20H24Si and a molecular weight of 292.50 g/mol. Its IUPAC name is [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane.

Molecular Properties

Compound Name[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane
PubChem CID87603334
Molecular FormulaC20H24Si
Molecular Weight292.50 g/mol
Exact Mass292.16
IUPAC Name[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane
SMILESCC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=C(C)C=CC1
InChIInChI=1S/C20H24Si/c1-13-8-6-10-17(13)19-14(2)12-16-9-7-11-18(21(4)5)15(3)20(16)19/h6-9,11-12,15H,10H2,1-5H3
InChIKeySGEHJKQKBUNZGE-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane?
The IUPAC name of [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane (CID 87603334) is [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane.
What is the SMILES notation for [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane?
The canonical SMILES for [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane is CC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=C(C)C=CC1.
What is the InChIKey of [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane?
The InChIKey is SGEHJKQKBUNZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Si/c1-13-8-6-10-17(13)19-14(2)12-16-9-7-11-18(21(4)5)15(3)20(16)19/h6-9,11-12,15H,10H2,1-5H3.
What are the key properties of [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane?
[2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane has a molecular weight of 292.50 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)-4H-azulen-5-ylidene]-dimethylsilane is sourced from PubChem (CID 87603334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).